methyl 3-[3-(2-cyanophenyl)-2-oxidanylidene-5-pyridin-2-yl-pyridin-1-yl]benzoate

Systemtic Name: methyl 3-[3-(2-cyanophenyl)-2-oxidanylidene-5-pyridin-2-yl-pyridin-1-yl]benzoate Openeye Name: methyl 3-[3-(2-cyanophenyl)-2-oxo-5-(2-pyridyl)-1-pyridyl]benzoate CAS Name: 3-[3-(2-cyanophenyl)-2-oxo-5-(2-pyridinyl)-1-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(2-cyanophenyl)-2-oxo-5-pyridin-2-ylpyridin-1-yl]benzoate Traditional Name: 3-[3-(2-cyanophenyl)-2-keto-5-(2-pyridyl)-1-pyridyl]benzoic acid methyl ester Formula: C25H17N3O3 MolecularWeight: 407.42078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4

InChI

InChI=1S/C25H17N3O3/c1-31-25(30)17-8-6-9-20(13-17)28-16-19(23-11-4-5-12-27-23)14-22(24(28)29)21-10-3-2-7-18(21)15-26/h2-14,16H,1H3